CID 3042643

Brn 0523673

Structural Information

Molecular Formula
C13H21NS3
SMILES
C1CCC(CC1)CCCCN2C=CSSC2=S
InChI
InChI=1S/C13H21NS3/c15-13-14(10-11-16-17-13)9-5-4-8-12-6-2-1-3-7-12/h10-12H,1-9H2
InChIKey
IIZCNRLQDBZXGG-UHFFFAOYSA-N
Compound name
4-(4-cyclohexylbutyl)-1,2,4-dithiazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08362 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09090 159.1
[M+Na]+ 310.07284 163.1
[M-H]- 286.07634 161.3
[M+NH4]+ 305.11744 173.7
[M+K]+ 326.04678 155.9
[M+H-H2O]+ 270.08088 152.3
[M+HCOO]- 332.08182 159.6
[M+CH3COO]- 346.09747 167.2
[M+Na-2H]- 308.05829 156.5
[M]+ 287.08307 153.9
[M]- 287.08417 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.